Due to the very rapidly increasing Xe chemical shift function as a function of decreasing Xe–H 2 O separation, propensity for closer solute-solvent encounters produces an increasing trend of the 129 Xe shift; one that displaces the shift maximum to a higher temperature than that of the density extremum.
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Chemical shift extremum of <sup>129</sup>Xe(aq) reveals details of hydrophobic solvation.
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